Vitas-M small molecule compound
(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702926
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H39N3O2S2 MW 561.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O2S2/c1-4-5-6-7-8-12-20-34-31(36)29(39-32(34)38)22-26-23-35(27-13-10-9-11-14-27)33-30(26)25-15-17-28(18-16-25)37-21-19-24(2)3/h9-11,13-18,22-24H,4-8,12,19-21H2,1-3H3/b29-22-InChIKey
BWNCAAJAPWTJJO-IADYIPOJSA-NSynonyms
(5Z)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4(3methylbutoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC32H39N3O2S2c14567812203431(36)29(3932(34)38)22262335(2713109111427)3330(26)25151728(181625)37211924(2)3h91113182224H48121921H213H3b2922
MFCD02987328
ZINC000100837900
ZINC100837900
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